1-(2-Hydroxy-ethyl)-3-(2,3,4-trifluoro-phenyl)-thiourea | 851219-53-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(2-Hydroxy-ethyl)-3-(2,3,4-trifluoro-phenyl)-thiourea
• 英文别名: 1-(2-hydroxyethyl)-3-(2,3,4-trifluorophenyl)thiourea
• CAS: 851219-53-9
• 化学式: C₉H₉F₃N₂OS
• 分子量: 250.244
• InChiKey: OBAXFFSSJXUUJT-UHFFFAOYSA-N

物化性质

• 沸点：
  311.7±52.0 °C(Predicted)
• 密度：
  1.508±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.38
• 重原子数：
  16.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  44.29
• 氢给体数：
  3.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  1-(2-Hydroxy-ethyl)-3-(2,3,4-trifluoro-phenyl)-thiourea 在 盐酸 作用下， 反应 0.75h， 生成 2-(2,3,4-trifluorophenylimino)-thiazolidine
  参考文献：
  名称：

  Synthesis and fungicidal activity of fluorine-containing phenylimino-thiazolidines derivatives

  摘要：

  Nine new fluorine-containing phenylimino-thiazolidines derivatives were prepared. The structures of all compounds were confirmed by H-1 NMR, mass and high resolution mass spectroscopy. The antifungicidal activities of the title compounds on Phytophthora capsici L., Pyricularia oryzae C, Fusarium spp. at 100 ppm were screened. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2004.03.004
• 作为产物：
  描述：

  2,3,4-三氟苯胺 在 sodium hydroxide 作用下， 以 乙酸乙酯 为溶剂， 反应 24.67h， 生成 1-(2-Hydroxy-ethyl)-3-(2,3,4-trifluoro-phenyl)-thiourea
  参考文献：
  名称：

  Synthesis and fungicidal activity of fluorine-containing phenylimino-thiazolidines derivatives

  摘要：

  Nine new fluorine-containing phenylimino-thiazolidines derivatives were prepared. The structures of all compounds were confirmed by I H NMR, mass and high resolution mass spectroscopy. The antifungicidal activities of the title compounds on Phytophthoza capsici L., Pyriculazia ozyzae C., Fusazium spp. at 100 ppm were screened. (c) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2004.10.018

文献信息

• Syntheses, structures and bioactivities of fluorine-containing phenylimino-thia(oxa)zolidine derivatives as agricultural bioregulators
  作者：Xuhong Qian、Xiaoyong Xu、Zhibin Li、Zhong Li、Gonghua Song

  DOI：10.1016/j.jfluchem.2004.09.002

  日期：2004.11

  From insight into the structure of trehazolin as trehalase inhibitor, six series of fluorine-containing phenylimino-thiazolidines (oxazolidines) derivatives were designed and prepared through a convenient synthesis of fluoroaryl isothiocyanate and a one-pot facile synthesis in high yield of fluorophenyl aminobenzoxazoles by cyclodesulfurization. The structures of the target compounds were confirmed with using IR, NMR, MS and elemental analysis. Their X-ray crystal analysis suggested that there were novel intermolecular (sp(2)CF(...)H(3)C-) and intramolecular (sp(2)CF(...)HN) hydrogen bonds between the fluorine atom on benzene ring and hydrogen atom of methyl group or amino group on five-membered heterocycle. Their fungicidal activities against Rhizoctonia solani and Pyricuraria oryzae at 100 ppm were determined. (C) 2004 Elsevier B.V. All rights reserved.